#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ida s THR 2 N 0.00 3.27 0.17 3.17 -1.32 0.40 -4.91 115.64 116.42 2ida s THR 2 Ca 0.00 -1.30 -0.10 0.00 -1.21 0.00 0.00 61.69 59.08 2ida s THR 2 Cb 0.00 -3.13 0.06 0.00 -1.51 0.00 0.00 72.50 67.92 2ida s THR 2 CO 0.00 -0.11 1.65 0.24 -2.21 0.00 0.00 174.62 174.20 2ida h MET 3 N 1.10 1.01 0.00 7.08 0.00 -1.95 -2.68 114.93 119.50 2ida h MET 3 Ca -0.43 -0.29 0.00 0.00 0.00 0.00 0.00 59.70 58.97 2ida h MET 3 Cb 1.26 -0.11 0.00 0.00 0.00 0.00 0.00 31.60 32.75 2ida h MET 3 CO 0.57 0.97 0.00 0.41 0.00 0.00 0.00 176.91 178.86 2ida n GLY 4 N -0.50 -0.07 3.55 8.32 0.00 -1.26 -4.51 105.19 110.73 2ida n GLY 4 Ca 0.03 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 2ida n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ida h ARG 6 N 2.00 0.00 0.00 0.00 0.11 -2.03 0.13 114.38 114.59 2ida h ARG 6 Ca -0.29 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.78 2ida h ARG 6 Cb 1.29 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.36 2ida h ARG 6 CO 0.33 0.00 -0.04 0.45 0.10 0.00 0.00 179.97 180.81 2ida h HIS 7 N 0.00 0.00 0.00 4.08 3.86 -2.02 -2.34 115.15 118.74 2ida h HIS 7 Ca 0.03 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2ida h HIS 7 Cb 0.22 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.69 2ida h HIS 7 CO 0.00 0.04 -0.03 -0.24 0.86 0.00 0.00 177.93 178.57 2ida h VAL 8 N 0.00 0.82 0.00 2.45 3.04 -1.13 0.11 116.25 121.55 2ida h VAL 8 Ca -0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 2ida h VAL 8 Cb 0.12 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.45 2ida h VAL 8 CO 0.01 0.02 0.00 0.00 -1.01 0.00 0.00 177.57 176.59 2ida n ALA 9 N -2.45 2.12 0.87 3.17 0.00 -0.88 -2.18 120.51 121.17 2ida n ALA 9 Ca -0.03 -0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.40 2ida n ALA 9 Cb 0.11 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 2ida n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ida n GLY 10 N 0.33 -0.10 3.89 0.00 0.00 0.39 -4.96 105.19 104.75 2ida n GLY 10 Ca 0.12 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 2ida n GLY 10 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ida s ILE 11 N -2.29 5.08 0.25 -0.61 -4.36 -0.93 -4.89 121.20 113.45 2ida s ILE 11 Ca 0.15 -0.74 0.06 0.00 -0.26 0.00 0.00 60.65 59.86 2ida s ILE 11 Cb 0.16 -3.58 -0.05 0.00 1.25 0.00 0.00 42.46 40.23 2ida s ILE 11 CO 0.53 -0.04 -0.07 0.00 0.24 0.00 0.00 174.94 175.60 2ida s ARG 12 N -3.02 1.44 -0.66 0.37 3.03 -0.80 -5.03 118.95 114.28 2ida s ARG 12 Ca 0.33 -1.70 -0.26 0.00 2.03 0.00 0.00 55.73 56.13 2ida s ARG 12 Cb -0.11 -1.03 -0.02 0.00 -1.03 0.00 0.00 34.95 32.76 2ida s ARG 12 CO 0.27 0.05 1.80 0.99 -1.13 0.00 0.00 175.30 177.28 2ida s THR 13 N -3.09 3.41 0.36 4.99 2.01 -1.26 -4.65 115.64 117.42 2ida s THR 13 Ca 0.27 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.43 2ida s THR 13 Cb 0.03 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 2ida s THR 13 CO 0.10 -1.04 0.57 0.68 -0.69 0.00 0.00 174.62 174.24 2ida s VAL 14 N 8.73 4.97 -0.24 3.82 -7.23 -1.26 -5.08 120.40 124.10 2ida s VAL 14 Ca 0.63 -0.43 -0.09 0.00 -1.81 0.00 0.00 61.98 60.27 2ida s VAL 14 Cb -0.11 -3.82 -0.04 0.00 0.56 0.00 0.00 36.38 32.96 2ida s VAL 14 CO 0.18 -0.55 0.13 -0.89 -0.31 0.00 0.00 175.10 173.66 2ida s THR 15 N -2.36 5.07 -0.07 5.32 2.01 -1.26 -4.94 115.64 119.40 2ida s THR 15 Ca 0.41 0.08 -0.34 0.00 0.31 0.00 0.00 61.69 62.15 2ida s THR 15 Cb -0.10 -3.36 -0.11 0.00 0.01 0.00 0.00 72.50 68.94 2ida s THR 15 CO 0.37 0.35 1.89 -2.65 -0.69 0.00 0.00 174.62 173.88 2ida n PRO 16 N 4.40 2.26 0.06 4.92 -0.02 -1.26 -4.59 135.00 140.76 2ida n PRO 16 Ca -0.15 0.83 0.12 0.00 -2.02 0.00 0.00 63.50 62.27 2ida n PRO 16 Cb 0.52 -2.68 0.21 0.00 -0.02 0.00 0.00 33.50 31.52 2ida n PRO 16 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2ida n SER 17 N 6.69 0.68 -4.02 2.55 2.88 0.15 -4.90 113.62 117.65 2ida n SER 17 Ca 0.22 0.14 -0.08 0.00 -1.33 0.00 0.00 58.87 57.82 2ida n SER 17 Cb 0.31 0.07 -0.10 0.00 -0.75 0.00 0.00 64.21 63.74 2ida n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ida s ALA 18 N -3.14 0.25 -0.15 -1.46 0.00 -1.26 -4.97 121.76 111.03 2ida s ALA 18 Ca 0.07 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 2ida s ALA 18 Cb 0.14 0.22 -0.06 0.00 0.00 0.00 0.00 23.12 23.41 2ida s ALA 18 CO 0.70 -0.27 -0.07 -0.07 0.00 0.00 0.00 175.76 176.05 2ida h LEU 19 N 3.86 0.00 0.00 0.00 3.38 -1.93 -3.44 115.31 117.17 2ida h LEU 19 Ca -0.33 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2ida h LEU 19 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2ida h LEU 19 CO 0.53 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.54 2ida n GLY 20 N 1.60 2.08 3.59 0.83 0.00 -1.26 -4.89 105.19 107.14 2ida n GLY 20 Ca -0.11 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 2ida n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ida h GLU 22 N 10.27 0.44 -0.01 0.00 4.57 -1.90 0.27 114.58 128.23 2ida h GLU 22 Ca -0.26 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 57.88 2ida h GLU 22 Cb 1.09 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 2ida h GLU 22 CO 1.12 0.29 -0.07 1.49 -1.18 0.00 0.00 179.01 180.67 2ida h GLU 23 N 0.46 0.06 -0.04 1.92 4.57 -1.90 -3.30 114.58 116.35 2ida h GLU 23 Ca 0.61 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.68 2ida h GLU 23 Cb 1.41 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.01 2ida h GLU 23 CO -0.35 0.77 -0.26 0.00 -1.18 0.00 0.00 179.01 178.00 2ida h LEU 25 N 0.06 0.00 -0.90 0.00 3.38 -1.06 0.30 115.31 117.09 2ida h LEU 25 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2ida h LEU 25 Cb 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2ida h LEU 25 CO 0.03 0.00 -0.08 0.07 0.09 0.00 0.00 178.44 178.56 2ida h LYS 26 N 0.00 0.00 0.00 1.13 2.10 -1.60 -3.26 116.57 114.94 2ida h LYS 26 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ida h LYS 26 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2ida h LYS 26 CO 0.00 0.08 0.00 0.44 -2.00 0.00 0.00 179.45 177.97 2ida n ILE 27 N -3.16 0.00 -2.27 0.07 -5.35 -0.89 -5.01 119.36 102.75 2ida n ILE 27 Ca 0.02 -0.32 -0.02 0.00 -0.27 0.00 0.00 62.75 62.16 2ida n ILE 27 Cb 0.42 1.24 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 2ida n ILE 27 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ida n GLY 28 N 0.21 0.53 3.82 3.28 0.00 0.22 -5.04 105.19 108.20 2ida n GLY 28 Ca 0.00 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 2ida n GLY 28 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ida s SER 29 N -2.97 7.03 0.98 1.61 0.15 0.81 -4.99 113.70 116.33 2ida s SER 29 Ca 0.02 1.41 -0.14 0.00 0.70 0.00 0.00 55.95 57.93 2ida s SER 29 Cb -0.01 -2.42 0.18 0.00 -1.71 0.00 0.00 66.02 62.07 2ida s SER 29 CO 0.02 0.01 1.16 -2.84 1.20 0.00 0.00 173.24 172.79 2ida s PRO 30 N -2.06 0.53 0.08 5.44 0.02 -1.26 -4.49 135.00 133.26 2ida s PRO 30 Ca 0.44 0.12 -0.13 0.00 0.02 0.00 0.00 61.00 61.45 2ida s PRO 30 Cb -0.16 -1.78 0.02 0.00 0.02 0.00 0.00 34.50 32.59 2ida s PRO 30 CO 0.21 -2.58 0.30 1.67 -0.33 0.00 0.00 177.00 176.26 2ida s TRP 31 N -3.30 -0.05 -0.08 6.54 -2.14 -1.26 -4.92 118.94 113.73 2ida s TRP 31 Ca 0.67 -0.24 -0.05 0.00 2.66 0.00 0.00 56.10 59.14 2ida s TRP 31 Cb -0.12 0.09 -0.02 0.00 -3.10 0.00 0.00 33.47 30.32 2ida s TRP 31 CO 0.54 -0.58 -0.10 0.28 -2.66 0.00 0.00 176.95 174.43 2ida n VAL 32 N 0.12 0.76 -4.25 -0.66 0.31 -1.26 -4.54 118.33 108.81 2ida n VAL 32 Ca -0.17 0.35 -0.15 0.00 -0.01 0.00 0.00 64.34 64.36 2ida n VAL 32 Cb 0.62 -1.98 -0.10 0.00 -0.91 0.00 0.00 33.84 31.47 2ida n VAL 32 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2ida s HIS 33 N -1.70 1.28 -0.02 3.52 0.09 -1.26 -4.70 115.29 112.50 2ida s HIS 33 Ca -0.09 -0.72 0.03 0.00 -0.00 0.00 0.00 55.06 54.29 2ida s HIS 33 Cb 0.01 -0.65 -0.03 0.00 -0.00 0.00 0.00 32.58 31.91 2ida s HIS 33 CO 0.13 0.10 -0.09 -0.51 -0.00 0.00 0.00 174.74 174.36 2ida s LEU 34 N -3.03 3.05 -0.17 0.89 1.43 -1.26 -0.52 118.68 119.07 2ida s LEU 34 Ca 0.15 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2ida s LEU 34 Cb 0.01 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.54 2ida s LEU 34 CO 0.01 0.31 -0.16 -0.13 0.23 0.00 0.00 176.35 176.60 2ida s ARG 35 N -1.18 2.59 -0.26 1.70 1.81 0.78 -1.46 118.95 122.93 2ida s ARG 35 Ca 0.15 -0.72 -0.14 0.00 -1.72 0.00 0.00 55.73 53.31 2ida s ARG 35 Cb -0.11 -2.35 -0.04 0.00 -0.45 0.00 0.00 34.95 32.00 2ida s ARG 35 CO 0.05 -0.25 0.31 -1.50 -0.68 0.00 0.00 175.30 173.23 2ida s ILE 36 N 1.38 5.23 -0.32 1.52 2.07 -0.43 -1.40 121.20 129.25 2ida s ILE 36 Ca 0.04 0.44 -0.29 0.00 -1.41 0.00 0.00 60.65 59.44 2ida s ILE 36 Cb -0.13 -3.64 0.01 0.00 0.13 0.00 0.00 42.46 38.83 2ida s ILE 36 CO -0.11 0.22 1.15 0.00 -1.91 0.00 0.00 174.94 174.28 2ida n ARG 38 N 7.06 0.68 -0.03 0.00 5.12 -0.81 -0.24 116.66 128.44 2ida n ARG 38 Ca 0.13 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 56.07 2ida n ARG 38 Cb 0.47 -1.14 -0.11 0.00 -1.16 0.00 0.00 32.46 30.51 2ida n ARG 38 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2ida n THR 39 N -0.64 0.36 -0.49 0.55 -1.04 -1.26 -1.90 114.28 109.86 2ida n THR 39 Ca 0.05 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.62 2ida n THR 39 Cb 0.02 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 2ida n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ida n GLY 41 N 0.00 0.48 3.81 0.00 0.00 0.66 -4.84 105.19 105.30 2ida n GLY 41 Ca 0.00 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 2ida n GLY 41 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ida s HIS 42 N -2.00 3.72 -0.10 1.61 2.46 -1.25 -0.68 115.29 119.05 2ida s HIS 42 Ca 0.00 1.07 -0.02 0.00 0.47 0.00 0.00 55.06 56.58 2ida s HIS 42 Cb 0.00 -2.41 -0.03 0.00 -0.13 0.00 0.00 32.58 30.01 2ida s HIS 42 CO 0.00 0.53 -0.02 0.08 -2.47 0.00 0.00 174.74 172.86 2ida s VAL 43 N -0.76 4.11 0.21 0.89 1.01 -1.26 -1.04 120.40 123.56 2ida s VAL 43 Ca 0.26 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 2ida s VAL 43 Cb -0.17 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 2ida s VAL 43 CO 0.15 0.58 0.23 -0.83 0.00 0.00 0.00 175.10 175.23 2ida s GLY 44 N -0.57 1.13 0.46 4.51 0.00 -0.49 -3.21 107.32 109.15 2ida s GLY 44 Ca 0.09 -1.43 -0.22 0.00 0.00 0.00 0.00 44.72 43.16 2ida s GLY 44 CO 0.02 -1.16 1.08 0.00 0.00 0.00 0.00 173.10 173.05 2ida n ASP 47 N -3.65 0.38 0.10 0.00 5.75 -1.26 -3.13 116.55 114.73 2ida n ASP 47 Ca 0.05 -1.37 -0.16 0.00 -0.01 0.00 0.00 54.79 53.31 2ida n ASP 47 Cb 0.20 -0.02 -0.12 0.00 -1.03 0.00 0.00 41.12 40.15 2ida n ASP 47 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2ida h ASP 48 N 0.53 0.47 -3.81 -1.12 3.32 -1.93 -3.46 116.42 110.43 2ida h ASP 48 Ca 0.00 -0.48 -0.48 0.00 0.02 0.00 0.00 57.03 56.09 2ida h ASP 48 Cb 0.12 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2ida h ASP 48 CO 0.00 1.35 0.25 -0.44 -1.72 0.00 0.00 179.24 178.68 2ida s SER 49 N -7.17 7.13 0.40 6.45 0.01 -1.19 -4.94 113.70 114.39 2ida s SER 49 Ca -0.05 1.63 0.18 0.00 1.31 0.00 0.00 55.95 59.03 2ida s SER 49 Cb 0.07 -2.50 1.11 0.00 0.21 0.00 0.00 66.02 64.91 2ida s SER 49 CO 0.88 -0.10 1.76 -0.65 0.41 0.00 0.00 173.24 175.54 2ida h PRO 50 N 2.93 0.38 -0.43 12.44 0.11 -1.88 -1.38 132.00 144.16 2ida h PRO 50 Ca -0.48 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 2ida h PRO 50 Cb 1.19 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2ida h PRO 50 CO 0.64 0.25 -0.00 0.45 -0.21 0.00 0.00 178.00 179.13 2ida h HIS 51 N 0.39 0.84 -6.41 0.65 3.86 -1.93 -3.47 115.15 109.08 2ida h HIS 51 Ca 0.61 -0.15 -0.50 0.00 -1.16 0.00 0.00 60.37 59.17 2ida h HIS 51 Cb 1.54 -0.22 -0.08 0.00 1.06 0.00 0.00 27.41 29.71 2ida h HIS 51 CO -0.00 0.83 -0.78 1.63 0.86 0.00 0.00 177.93 180.47 2ida n LYS 52 N -4.40 -4.96 0.28 2.45 5.02 -0.52 -4.84 118.16 111.19 2ida n LYS 52 Ca -0.00 0.54 0.15 0.00 -2.02 0.00 0.00 58.31 56.98 2ida n LYS 52 Cb 0.30 -5.40 0.82 0.00 -0.02 0.00 0.00 35.03 30.74 2ida n LYS 52 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2ida h HIS 53 N -1.95 0.00 -0.12 2.13 2.76 -1.76 -2.06 115.15 114.16 2ida h HIS 53 Ca -0.58 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.41 2ida h HIS 53 Cb 1.38 0.00 0.01 0.00 1.55 0.00 0.00 27.41 30.35 2ida h HIS 53 CO 0.59 0.07 -0.63 0.00 -1.30 0.00 0.00 177.93 176.66 2ida h ALA 54 N 1.93 0.23 -0.10 5.26 0.00 -1.62 -1.94 119.26 123.02 2ida h ALA 54 Ca -0.00 -0.55 -0.22 0.00 0.00 0.00 0.00 54.91 54.14 2ida h ALA 54 Cb 0.28 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2ida h ALA 54 CO 0.01 0.51 -0.81 1.79 0.00 0.00 0.00 179.25 180.75 2ida h THR 55 N 0.28 1.29 0.00 0.00 1.35 -1.66 -2.91 112.91 111.26 2ida h THR 55 Ca -0.05 -2.03 -0.03 0.00 -0.55 0.00 0.00 66.41 63.75 2ida h THR 55 Cb 1.27 2.13 -0.00 0.00 -1.73 0.00 0.00 68.15 69.82 2ida h THR 55 CO 0.13 0.63 -0.16 0.03 -0.25 0.00 0.00 175.52 175.90 2ida h ARG 56 N 0.43 0.00 -0.75 4.72 3.08 -1.48 -2.21 114.38 118.18 2ida h ARG 56 Ca -0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2ida h ARG 56 Cb 1.45 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.47 2ida h ARG 56 CO 0.16 0.16 0.40 1.25 -1.07 0.00 0.00 179.97 180.88 2ida h HIS 57 N 0.00 1.04 -0.46 3.04 2.76 -1.14 -1.52 115.15 118.87 2ida h HIS 57 Ca -0.00 -0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.07 2ida h HIS 57 Cb 0.43 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 2ida h HIS 57 CO 0.00 0.74 0.00 0.35 -1.30 0.00 0.00 177.93 177.72 2ida h PHE 58 N 1.04 0.79 0.00 5.26 3.57 -1.36 0.23 116.94 126.47 2ida h PHE 58 Ca 0.26 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 2ida h PHE 58 Cb 0.06 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 2ida h PHE 58 CO 0.00 0.74 -0.27 1.25 -2.23 0.00 0.00 178.31 177.79 2ida h HIS 59 N 0.70 0.00 0.00 0.41 2.76 -1.26 -0.29 115.15 117.48 2ida h HIS 59 Ca 0.14 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.27 2ida h HIS 59 Cb 0.43 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 2ida h HIS 59 CO 0.02 0.27 -0.68 0.00 -1.30 0.00 0.00 177.93 176.24 2ida n ALA 60 N -2.37 0.53 0.06 5.26 0.00 -0.63 -4.62 120.51 118.74 2ida n ALA 60 Ca -0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 53.44 52.93 2ida n ALA 60 Cb 0.36 -0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.66 2ida n ALA 60 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2ida h THR 61 N -1.00 1.09 -0.93 0.00 1.35 -0.67 -3.48 112.91 109.26 2ida h THR 61 Ca -0.07 -2.70 0.00 0.00 -0.55 0.00 0.00 66.41 63.10 2ida h THR 61 Cb 0.67 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 2ida h THR 61 CO -0.04 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 2ida n GLY 62 N 1.37 0.94 3.18 5.82 0.00 -0.12 -5.04 105.19 111.34 2ida n GLY 62 Ca -0.05 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 2ida n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ida s HIS 63 N -2.93 3.46 -2.24 1.61 3.76 -1.25 -4.98 115.29 112.72 2ida s HIS 63 Ca 0.00 -2.04 0.24 0.00 -0.15 0.00 0.00 55.06 53.11 2ida s HIS 63 Cb 0.00 -3.09 1.07 0.00 1.11 0.00 0.00 32.58 31.68 2ida s HIS 63 CO 0.00 -0.93 1.73 -0.35 -0.85 0.00 0.00 174.74 174.35 2ida n PRO 64 N 4.74 1.45 -4.63 8.40 -0.04 -1.26 -4.51 135.00 139.15 2ida n PRO 64 Ca -0.06 -0.67 -0.25 0.00 -0.04 0.00 0.00 63.50 62.47 2ida n PRO 64 Cb 0.42 -1.41 -0.17 0.00 -0.04 0.00 0.00 33.50 32.30 2ida n PRO 64 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2ida s ILE 65 N -1.92 1.19 0.07 0.52 1.01 -1.26 -0.66 121.20 120.15 2ida s ILE 65 Ca 0.35 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.50 2ida s ILE 65 Cb 0.18 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 2ida s ILE 65 CO 0.29 0.37 -0.07 0.27 0.00 0.00 0.00 174.94 175.79 2ida s ILE 66 N 0.59 0.58 0.36 2.92 -4.36 -0.34 -1.93 121.20 119.03 2ida s ILE 66 Ca -0.14 -1.47 0.08 0.00 -0.26 0.00 0.00 60.65 58.86 2ida s ILE 66 Cb -0.15 -1.09 -0.03 0.00 1.25 0.00 0.00 42.46 42.44 2ida s ILE 66 CO 0.04 -0.62 0.28 -1.61 0.24 0.00 0.00 174.94 173.27 2ida s GLU 67 N -2.62 2.57 -0.66 0.37 2.02 0.11 0.34 118.70 120.82 2ida s GLU 67 Ca -0.00 -1.44 -0.24 0.00 0.02 0.00 0.00 54.97 53.30 2ida s GLU 67 Cb -0.03 -2.36 0.05 0.00 0.10 0.00 0.00 34.13 31.89 2ida s GLU 67 CO -0.02 0.01 1.06 0.20 0.02 0.00 0.00 175.26 176.52 2ida s GLY 68 N -4.00 1.23 0.33 -1.39 0.00 -1.19 -1.31 107.32 100.98 2ida s GLY 68 Ca 0.42 -1.59 0.20 0.00 0.00 0.00 0.00 44.72 43.75 2ida s GLY 68 CO 0.26 2.24 1.44 -1.82 0.00 0.00 0.00 173.10 175.22 2ida h TYR 69 N 9.66 0.00 0.07 1.90 3.20 -1.58 -3.31 116.97 126.91 2ida h TYR 69 Ca -0.28 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.59 2ida h TYR 69 Cb 1.06 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.34 2ida h TYR 69 CO 1.01 0.22 -0.04 0.22 -1.64 0.00 0.00 178.16 177.93 2ida h ASP 70 N 0.00 -0.08 -3.04 -2.11 3.58 -1.85 -3.41 116.42 109.50 2ida h ASP 70 Ca -0.01 -0.47 -0.70 0.00 0.42 0.00 0.00 57.03 56.26 2ida h ASP 70 Cb 1.18 0.02 -0.20 0.00 1.72 0.00 0.00 39.33 42.05 2ida h ASP 70 CO 0.03 0.59 0.04 -2.16 -2.88 0.00 0.00 179.24 174.86 2ida s PRO 71 N -2.64 3.05 -0.03 0.28 0.04 -1.25 -4.96 135.00 129.50 2ida s PRO 71 Ca -0.12 -1.24 -0.04 0.00 0.04 0.00 0.00 61.00 59.64 2ida s PRO 71 Cb -0.01 -4.22 -0.19 0.00 0.04 0.00 0.00 34.50 30.13 2ida s PRO 71 CO 0.43 -1.41 2.72 -2.30 0.04 0.00 0.00 177.00 176.49 2ida n PRO 72 N 6.12 1.45 0.09 0.56 -0.02 -1.26 -4.21 135.00 137.74 2ida n PRO 72 Ca -0.09 -0.73 0.04 0.00 -2.02 0.00 0.00 63.50 60.69 2ida n PRO 72 Cb 0.43 -1.87 -0.01 0.00 -0.02 0.00 0.00 33.50 32.03 2ida n PRO 72 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2ida h GLU 73 N 3.91 0.00 -1.53 -0.52 5.08 -1.93 -3.49 114.58 116.10 2ida h GLU 73 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2ida h GLU 73 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2ida h GLU 73 CO 0.34 0.26 0.00 0.41 -1.00 0.00 0.00 179.01 179.01 2ida n GLY 74 N 1.28 0.09 3.31 -3.84 0.00 -1.26 -4.63 105.19 100.14 2ida n GLY 74 Ca -0.03 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 2ida n GLY 74 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2ida s TRP 75 N -1.26 -0.38 -0.09 1.61 1.48 -1.26 -1.87 118.94 117.18 2ida s TRP 75 Ca 0.00 0.80 0.03 0.00 -1.06 0.00 0.00 56.10 55.87 2ida s TRP 75 Cb 0.00 0.17 -0.01 0.00 -1.16 0.00 0.00 33.47 32.46 2ida s TRP 75 CO 0.00 -0.34 -0.18 0.20 -4.06 0.00 0.00 176.95 172.57 2ida s GLY 76 N -0.56 1.44 -0.15 3.67 0.00 0.12 -3.19 107.32 108.65 2ida s GLY 76 Ca -0.07 -0.97 -0.04 0.00 0.00 0.00 0.00 44.72 43.64 2ida s GLY 76 CO 0.03 -0.48 -0.01 0.86 0.00 0.00 0.00 173.10 173.50 2ida s TRP 77 N -0.04 3.08 -0.28 1.90 -0.11 0.15 -1.00 118.94 122.64 2ida s TRP 77 Ca -0.05 -0.14 -0.04 0.00 1.22 0.00 0.00 56.10 57.09 2ida s TRP 77 Cb -0.14 -1.95 0.02 0.00 -1.50 0.00 0.00 33.47 29.90 2ida s TRP 77 CO 0.04 0.09 0.01 0.00 -4.62 0.00 0.00 176.95 172.47 2ida h TYR 79 N 8.10 -1.36 0.00 0.00 0.05 -1.23 0.47 116.97 123.00 2ida h TYR 79 Ca -0.30 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.43 2ida h TYR 79 Cb 1.11 0.56 -0.01 0.00 1.01 0.00 0.00 36.73 39.40 2ida h TYR 79 CO 0.60 -0.60 -0.36 -0.39 -1.05 0.00 0.00 178.16 176.36 2ida h VAL 80 N -0.81 1.05 0.21 -2.88 -1.51 -1.96 -2.96 116.25 107.39 2ida h VAL 80 Ca -0.02 -1.32 -0.32 0.00 -1.23 0.00 0.00 66.70 63.81 2ida h VAL 80 Cb 0.77 1.76 0.03 0.00 -2.13 0.00 0.00 31.29 31.72 2ida h VAL 80 CO -0.19 0.35 -1.44 0.44 -1.23 0.00 0.00 177.57 175.50 2ida h ASP 81 N 0.00 0.70 -2.90 4.19 5.19 -1.84 -3.47 116.42 118.29 2ida h ASP 81 Ca -0.00 -0.77 -0.34 0.00 -0.62 0.00 0.00 57.03 55.29 2ida h ASP 81 Cb 0.73 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 40.01 2ida h ASP 81 CO 0.05 1.61 -0.47 -0.62 -3.12 0.00 0.00 179.24 176.69 2ida n GLU 82 N -3.65 -2.26 -4.29 3.56 1.02 0.16 -5.01 120.64 110.17 2ida n GLU 82 Ca -0.15 0.82 -0.28 0.00 -0.02 0.00 0.00 57.16 57.53 2ida n GLU 82 Cb 1.08 -5.31 -0.10 0.00 -0.02 0.00 0.00 31.44 27.09 2ida n GLU 82 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2ida s VAL 83 N -2.93 3.09 -0.26 2.62 -7.23 -1.24 -4.99 120.40 109.46 2ida s VAL 83 Ca 0.08 -1.56 -0.00 0.00 -1.81 0.00 0.00 61.98 58.69 2ida s VAL 83 Cb -0.04 -2.48 0.04 0.00 0.56 0.00 0.00 36.38 34.46 2ida s VAL 83 CO 0.10 -0.01 -0.07 -0.32 -0.31 0.00 0.00 175.10 174.49 2ida s MET 84 N -2.52 2.61 0.10 4.82 1.75 -1.26 -2.36 119.30 122.44 2ida s MET 84 Ca 0.22 -1.12 0.04 0.00 -1.25 0.00 0.00 55.69 53.58 2ida s MET 84 Cb -0.10 -2.98 -0.04 0.00 2.84 0.00 0.00 34.83 34.56 2ida s MET 84 CO 0.13 -0.48 0.09 -0.59 -0.65 0.00 0.00 175.02 173.52 2ida s PHE 85 N 1.25 3.17 -0.12 4.11 -0.12 -0.17 -0.45 117.98 125.65 2ida s PHE 85 Ca -0.03 0.05 -0.30 0.00 -0.05 0.00 0.00 56.93 56.60 2ida s PHE 85 Cb -0.18 -1.59 -0.02 0.00 -0.63 0.00 0.00 43.02 40.60 2ida s PHE 85 CO -0.04 0.52 1.21 0.34 -0.05 0.00 0.00 175.22 177.19 2ida s ASP 86 N -2.55 7.02 -0.17 1.98 -1.08 -1.01 0.14 116.67 121.01 2ida s ASP 86 Ca 0.29 1.72 0.16 0.00 -0.52 0.00 0.00 52.55 54.21 2ida s ASP 86 Cb -0.12 -2.55 0.36 0.00 -1.46 0.00 0.00 42.92 39.16 2ida s ASP 86 CO 0.22 -0.66 1.22 0.18 0.52 0.00 0.00 175.17 176.65 2ida n LEU 87 N 5.86 2.73 0.24 -1.34 4.77 -0.86 -4.72 117.00 123.67 2ida n LEU 87 Ca 0.12 -3.33 0.07 0.00 -0.03 0.00 0.00 56.01 52.84 2ida n LEU 87 Cb 0.46 -0.48 0.56 0.00 -2.33 0.00 0.00 43.42 41.62 2ida n LEU 87 CO 0.55 0.91 0.95 -1.28 -1.33 0.00 0.00 177.39 177.19 2ida h SER 88 N 0.51 0.00 1.21 -1.43 0.87 -1.63 0.33 113.55 113.41 2ida h SER 88 Ca 0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2ida h SER 88 Cb 1.09 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2ida h SER 88 CO 0.05 0.14 -0.04 -0.78 -0.53 0.00 0.00 176.83 175.67 2ida h ASP 89 N 0.00 0.00 0.00 6.23 3.58 -1.88 -3.28 116.42 121.07 2ida h ASP 89 Ca -0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2ida h ASP 89 Cb 0.25 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.20 2ida h ASP 89 CO 0.02 0.04 -0.54 0.54 -2.88 0.00 0.00 179.24 176.41 2ida n ARG 90 N -3.13 0.47 -1.90 0.28 1.74 -0.03 -5.10 116.66 108.99 2ida n ARG 90 Ca 0.01 -1.89 -0.37 0.00 -0.77 0.00 0.00 57.85 54.82 2ida n ARG 90 Cb 0.37 -0.72 0.04 0.00 -1.02 0.00 0.00 32.46 31.13 2ida n ARG 90 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ida s MET 91 N -1.02 3.08 -0.46 5.56 0.23 0.97 -4.98 119.30 122.67 2ida s MET 91 Ca 0.21 2.04 -0.16 0.00 -1.03 0.00 0.00 55.69 56.75 2ida s MET 91 Cb 0.21 -2.12 0.06 0.00 -1.53 0.00 0.00 34.83 31.45 2ida s MET 91 CO -0.05 -1.18 0.40 0.99 -2.03 0.00 0.00 175.02 173.15 2ida s THR 92 N -1.42 5.20 0.76 3.16 2.01 -1.26 -5.07 115.64 119.01 2ida s THR 92 Ca 0.74 -0.91 -0.11 0.00 0.31 0.00 0.00 61.69 61.72 2ida s THR 92 Cb -0.36 -4.10 0.04 0.00 0.01 0.00 0.00 72.50 68.09 2ida s THR 92 CO 0.41 -0.55 1.08 -2.84 -0.69 0.00 0.00 174.62 172.03 2ida s PRO 93 N 1.76 2.43 0.07 4.92 0.02 -1.26 -4.90 135.00 138.04 2ida s PRO 93 Ca 0.06 0.85 -0.31 0.00 0.02 0.00 0.00 61.00 61.62 2ida s PRO 93 Cb -0.23 -1.94 -0.08 0.00 0.02 0.00 0.00 34.50 32.27 2ida s PRO 93 CO 0.08 -1.43 1.66 -3.38 -0.33 0.00 0.00 177.00 173.60 2ida s HIS 94 N -3.07 2.39 -0.79 6.54 -3.43 -1.26 -4.88 115.29 110.79 2ida s HIS 94 Ca 0.60 0.30 0.27 0.00 -0.80 0.00 0.00 55.06 55.42 2ida s HIS 94 Cb -0.15 -3.97 0.86 0.00 -1.43 0.00 0.00 32.58 27.89 2ida s HIS 94 CO 0.55 -3.90 1.76 0.27 -2.00 0.00 0.00 174.74 171.42 2ida n ASN 95 N 5.68 0.61 -1.81 7.38 0.23 -1.26 -4.94 115.26 121.15 2ida n ASN 95 Ca 0.16 0.49 -0.03 0.00 -0.53 0.00 0.00 54.58 54.68 2ida n ASN 95 Cb 0.41 -0.61 0.01 0.00 -2.08 0.00 0.00 39.78 37.50 2ida n ASN 95 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ida n GLY 96 N 1.36 1.33 3.67 4.83 0.00 -1.26 -5.13 105.19 109.99 2ida n GLY 96 Ca 0.06 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 2ida n GLY 96 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2ida s PRO 97 N -2.03 4.22 -0.20 1.61 0.02 -1.26 -5.01 135.00 132.35 2ida s PRO 97 Ca 0.08 2.02 -0.04 0.00 0.02 0.00 0.00 61.00 63.07 2ida s PRO 97 Cb -0.02 -3.83 -0.02 0.00 0.02 0.00 0.00 34.50 30.66 2ida s PRO 97 CO 0.04 -0.75 -0.02 0.42 -0.33 0.00 0.00 177.00 176.36 2ida s ILE 98 N 3.49 3.80 -0.27 2.83 1.01 -1.26 -4.89 121.20 125.91 2ida s ILE 98 Ca 0.67 -0.37 -0.29 0.00 0.00 0.00 0.00 60.65 60.67 2ida s ILE 98 Cb -0.30 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 2ida s ILE 98 CO 0.25 0.44 1.77 -2.16 0.00 0.00 0.00 174.94 175.24 2ida s PRO 99 N 1.00 3.50 -0.22 2.79 0.04 -1.26 -4.97 135.00 135.88 2ida s PRO 99 Ca 0.01 1.58 -0.24 0.00 0.04 0.00 0.00 61.00 62.40 2ida s PRO 99 Cb -0.14 -4.15 -0.01 0.00 0.04 0.00 0.00 34.50 30.23 2ida s PRO 99 CO 0.01 -1.66 0.79 0.50 0.04 0.00 0.00 177.00 176.68 2ida s ARG 100 N 5.34 4.21 -0.26 4.56 3.00 -1.26 -4.93 118.95 129.61 2ida s ARG 100 Ca 0.79 0.89 -0.04 0.00 -1.00 0.00 0.00 55.73 56.37 2ida s ARG 100 Cb -0.25 -3.62 -0.16 0.00 0.00 0.00 0.00 34.95 30.93 2ida s ARG 100 CO 0.33 -0.42 -0.25 0.66 0.00 0.00 0.00 175.30 175.62 2ida n TYR 101 N 5.63 0.06 0.56 5.12 4.01 -1.26 -5.18 117.16 126.10 2ida n TYR 101 Ca 0.04 0.02 0.07 0.00 -0.16 0.00 0.00 57.90 57.86 2ida n TYR 101 Cb 0.48 -1.01 0.06 0.00 -0.31 0.00 0.00 39.34 38.56 2ida n TYR 101 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73